Compound Detail
CHEMBL52887
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Basic Information
| ChEMBL ID | CHEMBL52887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLGHRWIMBHLODC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
1.26
ALogP
8
HBA
0
HBD
104.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL3358 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 2.0 | nM | 8.7 | Inhibitory concentration against rat brain mitochondrial monoamine oxidase A | 8627609 |
| Amine oxidase [flavin-containing] B | IC50 | = | 60.0 | nM | 7.22 | Inhibitory activity against rat brain mitochondrial Monoamine oxidase B | 8627609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8627609 | 10.1021/jm950595m | Amine oxidase [flavin-containing] A | 2 |
| 8627609 | 10.1021/jm950595m | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine